5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide

C13H19BrN2O3S — CID 107908944

IUPAC5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CCCCBr)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-2-15-20(18,19)12-8-6-11(7-9-12)16-13(17)5-3-4-10-14/h6-9,15H,2-5,10H2,1H3,(H,16,17)
InChIKeyGINZTTDHJZCQKF-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.49
Rot. Bonds8

About 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide

5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide (PubChem CID 107908944) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
PubChem CID107908944
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CCCCBr)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-2-15-20(18,19)12-8-6-11(7-9-12)16-13(17)5-3-4-10-14/h6-9,15H,2-5,10H2,1H3,(H,16,17)
InChIKeyGINZTTDHJZCQKF-UHFFFAOYSA-N
XLogP2.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
CID 2229397
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
5-bromo-N-[4-(diethylamino)phenyl]pentanamide
CID 107907428

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide (CID 107908944) is 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide is CCNS(=O)(=O)c1ccc(NC(=O)CCCCBr)cc1.
What is the InChIKey of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide?
The InChIKey is GINZTTDHJZCQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-2-15-20(18,19)12-8-6-11(7-9-12)16-13(17)5-3-4-10-14/h6-9,15H,2-5,10H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide?
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide has a molecular weight of 363.28 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 107908944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).